AiiDA
Automated Interactive Infrastructure and Database for Computational Science

⚙ Workflows

Data provenance

? Plugin framework

HPC Interface

Open Science

? Open source


If you use AiiDA please cite:
AiiDA 1.x
Main paper: S.P. Huber et al., Scientific Data 7, 300 (2020)
AiiDA engine: M. Uhrin et al., Comp. Mat. Sci. 187 (2021)

AiiDA 0.x
First paper, ADES model: G. Pizzi et al. Comp. Mat. Sci. 111, 218-230 (2016) (open access version)

August 2013

This month has been mainly devoted to testing the infrastructure and writing documentation and tutorial.

  • FIXES Testing, debugging and bug fixes of the whole infrastructure
  • FIXES Two new beta-testers have started using the infrastructure and providing us feedback!
  • DOCS General reorganization of documentation; most of the user documentation  written 
  • WORKFLOWS Workflow interface slightly changed to improve its usability; this may lead to some backward-incompatibility, however the new interface brings in many major advantages